N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C49H32N2O — CID 177112501

IUPACN,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(-c5ccccc5)cc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3ccccc3c2)cc1
InChIInChI=1S/C49H32N2O/c1-5-15-33(16-6-1)38-29-36-21-13-14-24-41(36)46(31-38)51(39-22-11-4-12-23-39)40-26-27-42-43(34-17-7-2-8-18-34)30-37-25-28-45-48(47(37)44(42)32-40)52-49(50-45)35-19-9-3-10-20-35/h1-32H
InChIKeyUECBSKPGYVHPJB-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.76
Rot. Bonds6

About N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177112501) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID177112501
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC NameN,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(-c5ccccc5)cc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3ccccc3c2)cc1
InChIInChI=1S/C49H32N2O/c1-5-15-33(16-6-1)38-29-36-21-13-14-24-41(36)46(31-38)51(39-22-11-4-12-23-39)40-26-27-42-43(34-17-7-2-8-18-34)30-37-25-28-45-48(47(37)44(42)32-40)52-49(50-45)35-19-9-3-10-20-35/h1-32H
InChIKeyUECBSKPGYVHPJB-UHFFFAOYSA-N
XLogP13.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112662
N-(4-naphthalen-2-ylphenyl)-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112892
2,7-diphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112808
N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112672
N,2-diphenyl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112677
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112575
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037

Frequently Asked Questions

What is the IUPAC name of N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177112501) is N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2cc(N(c3ccccc3)c3ccc4c(-c5ccccc5)cc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3ccccc3c2)cc1.
What is the InChIKey of N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is UECBSKPGYVHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-5-15-33(16-6-1)38-29-36-21-13-14-24-41(36)46(31-38)51(39-22-11-4-12-23-39)40-26-27-42-43(34-17-7-2-8-18-34)30-37-25-28-45-48(47(37)44(42)32-40)52-49(50-45)35-19-9-3-10-20-35/h1-32H.
What are the key properties of N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 664.81 g/mol, XLogP of 13.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).